[1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C18H25N3O3S/c1-9-14(15(19)25-21-9)17(23)24-10(2)16(22)20-18-6-11-3-12(7-18)5-13(4-11)8-18/h10-13H,3-8,19H2,1-2H3,(H,20,22)